1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide

C26H38N4O3 — CID 154849352

IUPAC1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)CC12CCCCC2
InChIInChI=1S/C26H38N4O3/c1-19-15-20(2)17-29(16-19)24(32)22-9-5-6-10-23(22)27-25(33)28-13-14-30(21(3)31)26(18-28)11-7-4-8-12-26/h5-6,9-10,19-20H,4,7-8,11-18H2,1-3H3,(H,27,33)
InChIKeySAXWIWZQMOBPQJ-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.20
Rot. Bonds2

About 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide

1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 154849352) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID154849352
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Name1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)CC12CCCCC2
InChIInChI=1S/C26H38N4O3/c1-19-15-20(2)17-29(16-19)24(32)22-9-5-6-10-23(22)27-25(33)28-13-14-30(21(3)31)26(18-28)11-7-4-8-12-26/h5-6,9-10,19-20H,4,7-8,11-18H2,1-3H3,(H,27,33)
InChIKeySAXWIWZQMOBPQJ-UHFFFAOYSA-N
XLogP4.20
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 95156642
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101998
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55677286
N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide
CID 78882681

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide (CID 154849352) is 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide is CC(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)CC12CCCCC2.
What is the InChIKey of 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is SAXWIWZQMOBPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-19-15-20(2)17-29(16-19)24(32)22-9-5-6-10-23(22)27-25(33)28-13-14-30(21(3)31)26(18-28)11-7-4-8-12-26/h5-6,9-10,19-20H,4,7-8,11-18H2,1-3H3,(H,27,33).
What are the key properties of 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide?
1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 154849352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).